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    Technical details about MolPort-001-768-564, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-001-768-564

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    MARKET PLACE

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: Veratrole, 91-16-7, Veratrol, O-dimethoxybenzene, Pyrocatechol dimethyl ether, Benzene, 1,2-dimethoxy-
    Molecular Formula
    C8H10O2
    Molecular Weight
    138.16  g/mol
    InChI Key
    ABDKAPXRBAPSQN-UHFFFAOYSA-N
    FDA UNII
    61WJZ2Q41I
    veratrole is a natural product found in Ophrys sphegodes, Phallus impudicus, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2-dimethoxybenzene
    2.1.2 InChI
    InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
    2.1.3 InChI Key
    ABDKAPXRBAPSQN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=CC=C1OC
    2.2 Other Identifiers
    2.2.1 UNII
    61WJZ2Q41I
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. O-dimethoxybenzene

    2. Veratrole

    2.3.2 Depositor-Supplied Synonyms

    1. Veratrole

    2. 91-16-7

    3. Veratrol

    4. O-dimethoxybenzene

    5. Pyrocatechol Dimethyl Ether

    6. Benzene, 1,2-dimethoxy-

    7. Catechol Dimethyl Ether

    8. 2-methoxyanisole

    9. O,o-dimethyl Catechol

    10. 2-dimethoxybenzol

    11. Benzene, O-dimethoxy-

    12. Synthol

    13. Methylguaiacol

    14. Fema No. 3799

    15. Methyl Guaiacol

    16. Dimethylether Pyrokatechinu

    17. Mfcd00008357

    18. Nsc 16934

    19. O-dimethoxy-benzene

    20. Orthodimethoxybenzene

    21. Dimethoxybenzene

    22. 1,2-dimethoxy Benzene

    23. 1,2-dimethoxy-benzene

    24. 61wjz2q41i

    25. Chembl1668603

    26. Chebi:59114

    27. Nsc-16934

    28. 1,2-dimethoxybenzene Puriss.

    29. Brenzkatechindimethylether

    30. Guaiacol Methylether

    31. Dimethylether Pyrokatechinu [czech]

    32. Einecs 202-045-3

    33. Unii-61wjz2q41i

    34. Ai3-02281

    35. Dimethoxy Benzene

    36. 1,2-dimethoxybenzene (veratrole)

    37. Catechol Dimethylether

    38. Veratrole [mi]

    39. Bmse010219

    40. Veratrol [who-dd]

    41. Ec 202-045-3

    42. Dsstox_cid_27065

    43. Dsstox_rid_82081

    44. Nciopen2_004258

    45. Dsstox_gsid_47065

    46. Wln: 1or Bo1

    47. Ghl.pd_mitscher_leg0.397

    48. Schembl105872

    49. Dtxsid7047065

    50. Fema 3799

    51. Zinc388251

    52. Cs-b1822

    53. Hy-b1812

    54. Nsc16934

    55. Tox21_302297

    56. 1,2-dimethoxybenzene [fhfi]

    57. Bbl011562

    58. Bdbm50336488

    59. Stl146732

    60. 1,2-dimethoxybenzene, >=99%, Fg

    61. Akos000120951

    62. Ccg-327696

    63. Cas-91-16-7

    64. Ncgc00256103-01

    65. As-12860

    66. Sy001445

    67. Db-013756

    68. D0627

    69. Ft-0659804

    70. Ft-0664408

    71. 1,2-dimethoxybenzene, Reagentplus(r), 99%

    72. D70447

    73. 1,2-dimethoxybenzene, Puriss., >=99.0% (gc)

    74. A843745

    75. Q131994

    76. Q-200062

    77. 1,2-dimethoxybenzene, Vetec(tm) Reagent Grade, 98%

    78. Z53833941

    79. F1908-0109

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 138.16 g/mol
    Molecular Formula C8H10O2
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass138.068079557 g/mol
    Monoisotopic Mass138.068079557 g/mol
    Topological Polar Surface Area18.5 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity81.3
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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